SCHEMBL31329451

SCHEMBL31329451

CC[C@@](NC(=O)OCC(Cl)(Cl)Cl)(C(=O)O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR2 P25025 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
CYP1A2 P05177 1/20 0.38
ATM Q13315 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35
CTSS P25774 1/20 0.35
KCNN4 O15554 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
GAA P10253 1/20 0.34
DPP8 Q6V1X1 1/20 0.33
DPP9 Q86TI2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9828908 0.85 KDM4E (0.51) CXCR2KDM4EALDH1A1HPGDATM
SCHEMBL9828915 0.85 KDM4E (0.51) CXCR2KDM4EALDH1A1HPGDATM
SCHEMBL9830815 0.83 LMNA (0.45) CXCR2KDM4EALDH1A1HPGDCYP1A2
SCHEMBL9830821 0.83 LMNA (0.45) CXCR2KDM4EALDH1A1HPGDCYP1A2
SCHEMBL193093 0.82 KCNN4 (0.44) CXCR2KDM4EALDH1A1HPGDCYP1A2
SCHEMBL5711399 0.82 MEN1 (0.51) CXCR2ALDH1A1MEN1KMT2ACTSK
SCHEMBL10440896 0.81 POLB (0.48) KDM4EALDH1A1HPGDCYP1A2MEN1
SCHEMBL31329448 0.80 CYP1A2 (0.40) KDM4EALDH1A1CYP1A2ATMMEN1
SCHEMBL7319974 0.78 CA12 (0.43) CXCR2ATMMEN1KMT2ACTSK
SCHEMBL27158981 0.78 CA12 (0.43) CXCR2ATMMEN1KMT2ACTSK

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4249470-B1 METHOD FOR PREPARING ALPHA-AMINO ACIDS PHILIPPS UNIV MARBURG (DE) 2024-11-13 EP disclosed